2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione

C10H14N2S — CID 88512971

IUPAC2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione
SMILESC=CCC1NC(=S)C=CN1CC=C
InChIInChI=1S/C10H14N2S/c1-3-5-9-11-10(13)6-8-12(9)7-4-2/h3-4,6,8-9H,1-2,5,7H2,(H,11,13)
InChIKeyHBYNDGHESXIXRZ-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.82
Rot. Bonds4

About 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione

2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione (PubChem CID 88512971) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione.

Molecular Properties

Compound Name2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione
PubChem CID88512971
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione
SMILESC=CCC1NC(=S)C=CN1CC=C
InChIInChI=1S/C10H14N2S/c1-3-5-9-11-10(13)6-8-12(9)7-4-2/h3-4,6,8-9H,1-2,5,7H2,(H,11,13)
InChIKeyHBYNDGHESXIXRZ-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione?
The IUPAC name of 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione (CID 88512971) is 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione.
What is the SMILES notation for 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione?
The canonical SMILES for 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione is C=CCC1NC(=S)C=CN1CC=C.
What is the InChIKey of 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione?
The InChIKey is HBYNDGHESXIXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-5-9-11-10(13)6-8-12(9)7-4-2/h3-4,6,8-9H,1-2,5,7H2,(H,11,13).
What are the key properties of 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione?
2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione has a molecular weight of 194.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enyl)-1,2-dihydropyrimidine-6-thione is sourced from PubChem (CID 88512971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).